(1S,3R)-3-Aminocyclohexanol Hydrochloride

Catalog:	BB054924
Product Name:	(1S,3R)-3-Aminocyclohexanol Hydrochloride
Synonyms:	(1S,3R)-3-Aminocyclohexanol Hydrochloride

Technical Data

IUPAC Name:	(1S,3R)-3-aminocyclohexan-1-olhydrochloride
Description:	(1S,3R)-3-Aminocyclohexanol Hydrochloride is used as a reactant in the preparation of isoxazole carboxamide compounds as potent, soluble, orally active TRPV1 antagonists and analgesics.
Molecular Weight:	115.17 + (36.46)
Molecular Formula:	C6H13NO·HCl
Canonical SMILES:	C1CC(CC(C1)O)N.Cl
InChI:	InChI=1S/C6H13NO.ClH/c7-5-2-1-3-6(8)4-5/h5-6,8H,1-4,7H21H/t5-,6+/m1./s1
InChI Key:	NJGXTVICXVECGR-IBTYICNHSA-N
Melting Point:	202 - 204°C
Solubility:	Methanol (Slightly), Water (Slightly)
Appearance:	Off-White to Pale Brown Solid
Storage:	4°C, Inert atmosphere
References:	Palin, R., et al. Bioorg. Med. Chem. Lett., 21, 892 (2011); Ratcliffe, P., et al. Bioorg. Med. Chem. Lett., 21, 2559 (2011).

Complexity:	74.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	2
Defined Bond Stereocenter Count:	0
Exact Mass:	151.0763918
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	151.0763918
Rotatable Bond Count:	0
Topological Polar Surface Area:	46.2Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0